General Information of the Compound
| Compound ID |
CP0552671
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| Compound Name |
(2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl)-N-methyl-6-oxo-7-oxa-5-
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C21H28N2O3/c1-13(2)14-4-6-15(7-5-14)16-8-18(9-16)23(3)19(24)17-10-21(11-17)12-26-20(25)22-21/h4-7,13,16-18H,8-12H2,1-3H3,(H,22,25)/t16-,17-,18+,21+
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| InChIKey |
BKAUVVYBHJYFLY-BXCOXIEISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound